Research workbench
Crystal structure of the lon-like protease mtalonc in complex with MG262
Analyse Crystal structure of the lon-like protease mtalonc in complex with MG262 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FWH
- Type
- protein
- Length
- 581 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TTC1975 peptidase
- EC
- 3.4.21.53
- UniProt
- C9DRU9
- Ligands
- CIX, PO4
- Pockets
- 8 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TTC1975 peptidase (EC 3.4.21.53) | protein | 581 | 39% helix, 20% strand | C9DRU9 |
Ligands and binding sites
- CIX · N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 305 | 0.62 | 0.79 | 24 | empty |
| 2 | 121 | 0.61 | 0.86 | 21 | empty |
| 3 | 250 | 0.60 | 0.80 | 32 | CIX |
| 4 | 143 | 0.58 | 0.83 | 16 | empty |
| 5 | 60 | 0.50 | 0.85 | 17 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4FWH · Crystal structure of the Lon-like protease MtaLonC in complex with MG262 · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt C9DRU9
- Elsewhere: RCSB PDB 4FWH · PDBe 4FWH · UniProt C9DRU9
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